3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methoxybenzenesulfonamide

C15H23N3O4S — CID 120816046

IUPAC3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C15H23N3O4S/c1-15(2)9-18(7-6-13(15)16)14(19)11-8-10(23(17,20)21)4-5-12(11)22-3/h4-5,8,13H,6-7,9,16H2,1-3H3,(H2,17,20,21)
InChIKeyUJLUKMAXOXRQSI-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.54
Rot. Bonds3

About 3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methoxybenzenesulfonamide

3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methoxybenzenesulfonamide (PubChem CID 120816046) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methoxybenzenesulfonamide
PubChem CID120816046
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C15H23N3O4S/c1-15(2)9-18(7-6-13(15)16)14(19)11-8-10(23(17,20)21)4-5-12(11)22-3/h4-5,8,13H,6-7,9,16H2,1-3H3,(H2,17,20,21)
InChIKeyUJLUKMAXOXRQSI-UHFFFAOYSA-N
XLogP0.54
TPSA115.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methoxynaphthalen-1-yl)methanone
CID 120814465
4-methoxy-3-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 72930852
4-methoxy-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 120994866
3-ethyl-1-(2-methoxy-5-sulfamoylbenzoyl)piperidine-3-carboxylic acid
CID 70715759
(4-amino-3,3-dimethylpiperidin-1-yl)-(4,5-dimethoxy-2-nitrophenyl)methanone;hydrochloride
CID 120820362
4-methoxy-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119576893
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(4-methoxyphenoxy)-5-nitrophenyl]methanone
CID 120815106
1-[5-(dimethylsulfamoyl)-2-methoxybenzoyl]piperidine-4-carboxamide
CID 27260946
3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-4-methoxybenzenesulfonamide
CID 120747556
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-cyclopropyl-4-methylbenzenesulfonamide
CID 120814473
4-methoxy-3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67169362
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-propan-2-yloxyphenyl)methanone;hydrochloride
CID 120814221

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methoxybenzenesulfonamide (CID 120816046) is 3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methoxybenzenesulfonamide is COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC(N)C(C)(C)C1.
What is the InChIKey of 3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methoxybenzenesulfonamide?
The InChIKey is UJLUKMAXOXRQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-15(2)9-18(7-6-13(15)16)14(19)11-8-10(23(17,20)21)4-5-12(11)22-3/h4-5,8,13H,6-7,9,16H2,1-3H3,(H2,17,20,21).
What are the key properties of 3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methoxybenzenesulfonamide?
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methoxybenzenesulfonamide has a molecular weight of 341.43 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 120816046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).